| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
F |
169 |
44 |
10881 |
◊ |
A |
x,y,z |
1_555 |
174 |
45 |
11183 |
1716.0 |
-18.7 |
0.204 |
28 |
8 |
0 |
1.000 |
2 |
|
D |
171 |
45 |
11254 |
◊ |
B |
x,y,z |
1_555 |
166 |
44 |
11092 |
1711.9 |
-18.0 |
0.200 |
27 |
8 |
0 |
1.000 |
3 |
|
E |
165 |
45 |
10879 |
◊ |
C |
x,y,z |
1_555 |
167 |
45 |
10992 |
1666.1 |
-19.8 |
0.175 |
27 |
8 |
0 |
1.000 |
| Average: |
1698.0 |
-18.8 |
0.193 |
27 |
8 |
0 |
1.000 |
| 2 |
4 |
|
E |
181 |
46 |
10879 |
◊ |
B |
x,y,z |
1_555 |
177 |
42 |
11092 |
1684.2 |
-27.7 |
0.037 |
4 |
0 |
0 |
0.872 |
5 |
|
F |
177 |
44 |
10881 |
◊ |
C |
x,y,z |
1_555 |
178 |
48 |
10992 |
1677.6 |
-26.6 |
0.052 |
4 |
0 |
0 |
0.872 |
6 |
|
D |
165 |
40 |
11254 |
◊ |
A |
x,y,z |
1_555 |
164 |
40 |
11183 |
1557.7 |
-26.2 |
0.024 |
4 |
0 |
0 |
0.872 |
| Average: |
1639.9 |
-26.8 |
0.038 |
4 |
0 |
0 |
0.872 |
| 3 |
7 |
|
A |
58 |
14 |
11183 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
47 |
13 |
11254 |
477.2 |
1.6 |
0.848 |
6 |
3 |
0 |
0.000 |
| 4 |
8 |
|
F |
46 |
12 |
10881 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
42 |
15 |
11183 |
357.7 |
-2.3 |
0.584 |
2 |
0 |
0 |
0.000 |
| 5 |
9 |
|
C |
34 |
13 |
10992 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
24 |
7 |
10879 |
278.4 |
-2.1 |
0.490 |
1 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[FMC]D:301 |
19 |
1 |
410 |
f |
D |
x,y,z |
1_555 |
38 |
16 |
11254 |
278.2 |
0.3 |
0.383 |
3 |
0 |
0 |
0.079 |
11 |
|
[FMC]B:301 |
19 |
1 |
410 |
f |
B |
x,y,z |
1_555 |
39 |
17 |
11092 |
277.0 |
0.3 |
0.402 |
3 |
0 |
0 |
0.079 |
12 |
|
[FMC]F:301 |
19 |
1 |
410 |
f |
F |
x,y,z |
1_555 |
38 |
15 |
10881 |
270.4 |
0.2 |
0.417 |
2 |
0 |
0 |
0.079 |
13 |
|
[FMC]A:301 |
19 |
1 |
409 |
f |
A |
x,y,z |
1_555 |
42 |
16 |
11183 |
254.4 |
-0.2 |
0.387 |
3 |
0 |
0 |
0.079 |
14 |
|
[FMC]E:302 |
19 |
1 |
405 |
f |
E |
x,y,z |
1_555 |
42 |
16 |
10879 |
238.3 |
0.0 |
0.448 |
4 |
0 |
0 |
0.079 |
| Average: |
263.7 |
0.1 |
0.407 |
3 |
0 |
0 |
0.079 |
| 7 |
15 |
|
[FMC]C:302 |
19 |
1 |
407 |
f |
C |
x,y,z |
1_555 |
40 |
16 |
10992 |
240.3 |
-0.1 |
0.429 |
5 |
0 |
0 |
0.061 |
| 8 |
16 |
|
F |
23 |
6 |
10881 |
◊ |
E |
x-1,y,z |
1_455 |
19 |
5 |
10879 |
219.9 |
-2.4 |
0.361 |
0 |
0 |
0 |
0.000 |
| 9 |
17 |
|
E |
25 |
9 |
10879 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
23 |
8 |
11092 |
189.1 |
0.7 |
0.734 |
2 |
1 |
0 |
0.000 |
| 10 |
18 |
|
A |
20 |
7 |
11183 |
◊ |
D |
x-1,y,z |
1_455 |
15 |
6 |
11254 |
160.8 |
-0.4 |
0.485 |
1 |
2 |
0 |
0.000 |
| 11 |
19 |
|
A |
18 |
5 |
11183 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
19 |
4 |
10881 |
156.2 |
0.9 |
0.777 |
3 |
2 |
0 |
0.000 |
| 12 |
20 |
|
C |
11 |
4 |
10992 |
◊ |
E |
x-1,y,z |
1_455 |
16 |
7 |
10879 |
128.6 |
0.9 |
0.748 |
4 |
2 |
0 |
0.000 |
| 13 |
21 |
|
[EDO]D:302 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
11254 |
113.8 |
4.6 |
0.756 |
3 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[EDO]A:303 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
11183 |
105.1 |
3.4 |
0.527 |
2 |
0 |
0 |
0.000 |
| 15 |
23 |
|
[EDO]F:302 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
21 |
7 |
10881 |
101.2 |
2.5 |
0.288 |
1 |
0 |
0 |
0.000 |
| 16 |
24 |
|
C |
11 |
4 |
10992 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
11183 |
100.0 |
1.0 |
0.807 |
1 |
0 |
0 |
0.000 |
25 |
|
E |
9 |
4 |
10879 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
11254 |
99.0 |
1.1 |
0.810 |
1 |
0 |
0 |
0.000 |
26 |
|
C |
11 |
5 |
10992 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
11092 |
98.8 |
1.0 |
0.812 |
1 |
0 |
0 |
0.000 |
27 |
|
B |
11 |
5 |
11092 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
11183 |
94.8 |
0.8 |
0.765 |
1 |
0 |
0 |
0.000 |
28 |
|
F |
10 |
4 |
10881 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
10879 |
94.6 |
1.2 |
0.828 |
1 |
0 |
0 |
0.000 |
29 |
|
F |
10 |
5 |
10881 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
11254 |
93.6 |
1.2 |
0.816 |
1 |
0 |
0 |
0.000 |
| Average: |
96.8 |
1.0 |
0.806 |
1 |
0 |
0 |
0.000 |
| 17 |
30 |
|
[EDO]B:302 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
11092 |
97.3 |
2.6 |
0.501 |
1 |
0 |
0 |
0.000 |
| 18 |
31 |
|
[EDO]A:306 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
11183 |
92.7 |
2.7 |
0.420 |
0 |
0 |
0 |
0.000 |
| 19 |
32 |
|
[PO4]A:302 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
11183 |
86.8 |
-4.6 |
0.824 |
4 |
0 |
0 |
0.197 |
| 20 |
33 |
|
[EDO]A:305 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
11183 |
85.7 |
2.5 |
0.305 |
1 |
0 |
0 |
0.000 |
| 21 |
34 |
|
[EDO]A:307 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
11183 |
82.1 |
2.6 |
0.291 |
1 |
0 |
0 |
0.000 |
| 22 |
35 |
|
[PO4]C:301 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
10992 |
79.0 |
-5.4 |
0.781 |
9 |
0 |
0 |
0.240 |
| 23 |
36 |
|
[PO4]E:301 |
5 |
1 |
188 |
f |
E |
x,y,z |
1_555 |
19 |
8 |
10879 |
77.5 |
-5.4 |
0.767 |
9 |
0 |
0 |
0.211 |
| 24 |
37 |
|
[EDO]E:303 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
10879 |
74.1 |
1.5 |
0.219 |
0 |
0 |
0 |
0.000 |
| 25 |
38 |
|
[EDO]A:304 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
11254 |
71.9 |
1.8 |
0.218 |
0 |
0 |
0 |
0.000 |
| 26 |
39 |
|
[EDO]C:303 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
10 |
3 |
10881 |
71.4 |
1.7 |
0.212 |
0 |
0 |
0 |
0.000 |
| 27 |
40 |
|
[EDO]D:304 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
12 |
6 |
11254 |
71.3 |
2.4 |
0.305 |
0 |
0 |
0 |
0.000 |
| 28 |
41 |
|
[EDO]A:304 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
11183 |
68.8 |
2.5 |
0.930 |
3 |
0 |
0 |
0.000 |
| 29 |
42 |
|
[EDO]C:303 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
10992 |
68.6 |
2.6 |
0.947 |
3 |
0 |
0 |
0.000 |
| 30 |
43 |
|
[EDO]D:303 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
11254 |
68.5 |
2.0 |
0.284 |
2 |
0 |
0 |
0.000 |
| 31 |
44 |
|
[FMC]B:301 |
6 |
1 |
410 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
10879 |
66.8 |
0.1 |
0.453 |
2 |
0 |
0 |
0.017 |
45 |
|
[FMC]F:301 |
6 |
1 |
410 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
10992 |
66.4 |
1.2 |
0.615 |
2 |
0 |
0 |
0.017 |
46 |
|
[FMC]D:301 |
6 |
1 |
410 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
11183 |
64.9 |
0.5 |
0.508 |
2 |
0 |
0 |
0.017 |
47 |
|
[FMC]A:301 |
6 |
1 |
409 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
11254 |
61.9 |
1.0 |
0.578 |
2 |
0 |
0 |
0.017 |
| Average: |
65.0 |
0.7 |
0.538 |
2 |
0 |
0 |
0.017 |
| 32 |
48 |
|
A |
13 |
6 |
11183 |
f |
[EDO]D:304 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
66.7 |
1.9 |
0.862 |
1 |
0 |
0 |
0.000 |
| 33 |
49 |
|
[FMC]E:302 |
6 |
1 |
405 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
11092 |
61.8 |
0.5 |
0.541 |
2 |
0 |
0 |
0.018 |
50 |
|
[FMC]C:302 |
6 |
1 |
407 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
10881 |
61.4 |
0.2 |
0.492 |
2 |
0 |
0 |
0.018 |
| Average: |
61.6 |
0.3 |
0.517 |
2 |
0 |
0 |
0.018 |
| 34 |
51 |
|
[EDO]E:303 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
10992 |
50.7 |
1.1 |
0.774 |
1 |
0 |
0 |
0.000 |
| 35 |
52 |
|
D |
4 |
2 |
11254 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
7 |
2 |
11254 |
47.9 |
0.4 |
0.709 |
0 |
0 |
0 |
0.000 |
| 36 |
53 |
|
[PO4]A:302 |
4 |
1 |
189 |
cf |
[FMC]A:301 |
x,y,z |
1_555 |
5 |
1 |
409 |
47.5 |
-3.2 |
0.414 |
0 |
0 |
0 |
0.100 |
| 37 |
54 |
|
[PO4]C:301 |
4 |
1 |
189 |
cf |
[FMC]C:302 |
x,y,z |
1_555 |
6 |
1 |
407 |
43.5 |
-2.7 |
0.462 |
0 |
0 |
0 |
0.069 |
| 38 |
55 |
|
[PO4]E:301 |
4 |
1 |
188 |
cf |
[FMC]E:302 |
x,y,z |
1_555 |
6 |
1 |
405 |
42.1 |
-2.6 |
0.478 |
0 |
0 |
0 |
0.058 |
| 39 |
56 |
|
[EDO]E:303 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
7 |
1 |
10881 |
38.3 |
0.4 |
0.583 |
0 |
0 |
0 |
0.000 |
| 40 |
57 |
|
[EDO]D:303 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
11092 |
36.6 |
0.6 |
0.809 |
1 |
0 |
0 |
0.000 |
| 41 |
58 |
|
[PO4]A:302 |
4 |
1 |
189 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11254 |
34.3 |
-0.5 |
0.956 |
2 |
0 |
0 |
0.044 |
| 42 |
59 |
|
A |
6 |
3 |
11183 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
2 |
11092 |
34.2 |
0.3 |
0.728 |
0 |
0 |
0 |
0.000 |
| 43 |
60 |
|
[PO4]E:301 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11092 |
31.1 |
-0.5 |
0.972 |
2 |
0 |
0 |
0.031 |
| 44 |
61 |
|
[EDO]A:307 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
11254 |
28.5 |
0.7 |
0.883 |
1 |
0 |
0 |
0.000 |
| 45 |
62 |
|
[PO4]C:301 |
4 |
1 |
189 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
10881 |
28.0 |
-0.4 |
0.968 |
2 |
0 |
0 |
0.034 |
| 46 |
63 |
|
[EDO]A:306 |
2 |
1 |
182 |
f |
D |
x-1/2,-y+1/2,-z |
4_455 |
3 |
2 |
11254 |
27.9 |
0.1 |
0.631 |
0 |
0 |
0 |
0.000 |
| 47 |
64 |
|
C |
3 |
1 |
10992 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
1 |
11092 |
10.2 |
-0.0 |
0.620 |
0 |
0 |
0 |
0.000 |
| 48 |
65 |
|
C |
2 |
1 |
10992 |
◊ |
D |
x,y-1,z |
1_545 |
3 |
2 |
11254 |
9.6 |
-0.1 |
0.578 |
0 |
0 |
0 |
0.000 |
| 49 |
66 |
|
[EDO]A:307 |
1 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
11092 |
4.1 |
0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
| 50 |
67 |
|
F |
1 |
1 |
10881 |
f |
[EDO]A:303 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
185 |
3.4 |
0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
|